Compound Summary
(-)-cis-(1S,2R)-U-50488 tartrate
Compound Information
(-)-cis-(1S,2R)-U-50488 tartrate
Compound Name: | (-)-cis-(1S,2R)-U-50488 tartrate |
Compound CID: | 11957596 |
Synonyms: | (-)-cis-(1S,2R)-U-50488 tartrate SR-01000075993 MLS002153312 SMR001230728 Lopac0_000736 More... |
Iupac Name: | 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;2,3-dihydroxybutanedioic acid |
InChI: | InChI=1S/C19H26Cl2N2O.C4H6O6/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;5-1(3(7)8)2(6)4(9)10/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-,18+;/m1./s1 |
InChIKey: | DMBKHRMAGYYBJM-URBRKQAFSA-N |
Canonical Smiles: | CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O |
Isomeric Smiles: | CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O |
Molecular Weight: | 519.4 |
Molecular Formula: | C23H32Cl2N2O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(-)-cis-(1S,2R)-U-50488 tartrate
Molecular Weight: | 519.4 |
Molecular Formula: | C23H32Cl2N2O7 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 34 |
Complexity: | 561 |
Synonyms
(-)-cis-(1S,2R)-U-50488 tartrate
| (-)-cis-(1S,2R)-U-50488 tartrate | (-)-cis-(1S,2R)-U-50488 tartrate |
|---|---|
(-)-cis-(1S,2R)-U-50488 tartrate |
SR-01000075993 |
MLS002153312 |
SMR001230728 |
Lopac0_000736 |
CHEMBL1357760 |
HMS3262C14 |
Tox21_500736 |
CCG-222040 |
LP00736 |
NCGC00094080-01 |
NCGC00261421-01 |
EU-0100736 |
U-106 |
SR-01000075993-1 |
SR-01000075993-6 |
(-)-(1S,2R)-cis-3,4-Dichloro-N-methyl-N-2-(1-pyrrolidinyl)cyclohexylbenzeneacetamide tartrate |
Experimental Data
(-)-cis-(1S,2R)-U-50488 tartrate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 9.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(-)-cis-(1S,2R)-U-50488 tartrate
Statistics Data
(-)-cis-(1S,2R)-U-50488 tartrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 9.000000000000000 | 1 | 1 |
Statistics Data Visualization
(-)-cis-(1S,2R)-U-50488 tartrate
